Baricitinib

CAT: 0804-HY-15315-07Size: 1 gDry Ice: NoHazardous: No

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CAT#:0804-HY-15315-07Size:1 g

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Description

Baricitinib (LY3009104; INCB028050) is a selective and orally bioavailable JAK1 and JAK2 inhibitor with IC50s of 5.9 nM and 5.7 nM, respectively.

CAS Number

1187594-09-7

Product Name Alternative

LY3009104; INCB028050

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

JAK

Type

Reference compound

Related Pathways

Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/Baricitinib.html

Purity

99.97

Solubility

DMSO : 25 mg/mL (ultrasonic; warming)

Smiles

N#CCC1(N2N=CC(C3=C4C(NC=C4)=NC=N3)=C2)CN(S(=O)(CC)=O)C1

Molecular Formula

C16H17N7O2S

Molecular Weight

371.42

Precautions

H302, H315, H319, H335

References & Citations

[1]Fridman JS, et al. Selective inhibition of JAK1 and JAK2 is efficacious in rodent models of arthritis: preclinical characterization of INCB028050. J Immunol. 2010 May 1;184 (9) :5298-307.|[2]Jabbari A, et al. Reversal of Alopecia Areata Following Treatment With the JAK1/2 Inhibitor Baricitinib. EBioMedicine. 2015 Feb 26;2 (4) :351-5.|[3]Khan IM, et al. Intermuscular and perimuscular fat expansion in obesity correlates with skeletal muscle T cell and macrophage infiltration resistance. Int J Obes (Lond) . 2015 Nov;39 (11) :1607-18.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

JAK1; JAK2; JAK3; Tyk2

Citation 01

Chemical Information

Baricitinib

Baricitinib is a pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a 1-[3-(cyanomethyl)-1-(ethanesulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl group at position 5. It is an FDA approved selective Janus Kinase 1 and 2 (JAK1 and JAK2) inhibitor used for the treatment of rheumatoid arthritis. It has a role as an antiviral agent, an immunosuppressive agent, an antirheumatic drug, an anti-inflammatory agent and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a nitrile, a member of pyrazoles, a sulfonamide, a pyrrolopyrimidine and a member of azetidines.

CAS Number	1187594-09-7
PubChem CID	44205240
IUPAC Name	2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
Molecular Formula	C16H17N7O2S
Molecular Weight	371.4
XLogP	-0.5
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	678

SMILES

CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)

InChIKey

XUZMWHLSFXCVMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1187594-09-7

CID: 44205240

Formula: C16H17N7O2S

MW: 371.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	371.4
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	371.11644398
Monoisotopic Mass	371.11644398
Topological Polar Surface Area	129 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	678
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
263660-01	Baricitinib

Baricitinib

Chemical Information

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